N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
TL;DR: N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 21398-76-5) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: BAS 00700626, N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide, N-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide, 2H,3H-benzo[e]1,4-dioxin-2-yl-N-butylcarboxamide, N-butyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.7427 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 392.0059 |
Chemical Identifiers
| CAS Number | 21398-76-5 |
|---|---|
| SMILES | CCCCNC(=O)C1COC2=CC=CC=C2O1 |
Product Overview
N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 21398-76-5), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: N-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Property Insights of N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
The XLogP value of 1.7427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The CAS number of N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 21398-76-5.
What is the molecular formula of N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular formula of N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide is C13H17NO3.
What is the molecular weight of N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular weight of N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 235.12 g/mol.
Where can I buy N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
You can request a quote for N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.